Information card for entry 4312619

Structure parameters

• Formula: C17 H18 Cu3 I3 N4 S3
• Calculated formula: C17 H18 Cu3 I3 N4 S3
• Title of publication: Construction of a Novel Copper(I) Chain Polymer of Hexanuclear Cu6(2-SC5H4NH)6I6 Cores with A New (μ3-S) Mode of Bonding of Pyridine-2-thione and of an Unusual Triangular Cu3I3(dppe)3(2-SC5H4NH) Cluster
• Authors of publication: Tarlok S. Lobana; Ritu Sharma; Elena Bermejo; Alfonso Castineiras
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7728 - 7730
• a: 8.0465 ± 0.0016 Å
• b: 13.454 ± 0.003 Å
• c: 13.77 ± 0.003 Å
• α: 64.097 ± 0.003°
• β: 79.996 ± 0.004°
• γ: 81.448 ± 0.004°
• Cell volume: 1316.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No